Geometry & MOs

Info

ID:	130785
PubChem CID:	51107627
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	25.48
Dipole, Da:	3.96
IP(EA), eV:	-9.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CSC=C2)C(=O)N(C)CC3CC3

DOS

IR

Vibrations